bis(10H-benzo[h]quinolin-10-ide);tris(4,7-diphenyl-1,10-phenanthroline);tetrakis(iridium(3+));1,10-phenanthroline;bis(2-phenyl-1,3-benzothiazole);tetrakis(2-phenylpyridine);chloride

C180H120ClIr4N16S2+3 — CID 157145763

About bis(10H-benzo[h]quinolin-10-ide);tris(4,7-diphenyl-1,10-phenanthroline);tetrakis(iridium(3+));1,10-phenanthroline;bis(2-phenyl-1,3-benzothiazole);tetrakis(2-phenylpyridine);chloride

bis(10H-benzo[h]quinolin-10-ide);tris(4,7-diphenyl-1,10-phenanthroline);tetrakis(iridium(3+));1,10-phenanthroline;bis(2-phenyl-1,3-benzothiazole);tetrakis(2-phenylpyridine);chloride (PubChem CID 157145763) has the molecular formula C180H120ClIr4N16S2+3 and a molecular weight of 3375.51 g/mol. Its IUPAC name is bis(10H-benzo[h]quinolin-10-ide);tris(4,7-diphenyl-1,10-phenanthroline);tetrakis(iridium(3+));1,10-phenanthroline;bis(2-phenyl-1,3-benzothiazole);tetrakis(2-phenylpyridine);chloride.

Molecular Properties

• Compound Name: bis(10H-benzo[h]quinolin-10-ide);tris(4,7-diphenyl-1,10-phenanthroline);tetrakis(iridium(3+));1,10-phenanthroline;bis(2-phenyl-1,3-benzothiazole);tetrakis(2-phenylpyridine);chloride
• PubChem CID: 157145763
• Molecular Formula: C180H120ClIr4N16S2+3
• Molecular Weight: 3375.51 g/mol
• Exact Mass: 3375.75
• IUPAC Name: bis(10H-benzo[h]quinolin-10-ide);tris(4,7-diphenyl-1,10-phenanthroline);tetrakis(iridium(3+));1,10-phenanthroline;bis(2-phenyl-1,3-benzothiazole);tetrakis(2-phenylpyridine);chloride
• SMILES: [Cl-].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccccc1-c1nc2ccccc2s1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/3C24H16N2.2C13H8NS.2C13H8N.C12H8N2.4C11H8N.ClH.4Ir/c3*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;2*1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h3*1-16H;2*1-6,8-9H;2*1-5,7-9H;1-8H;4*1-6,8-9H;1H;;;;/q;;;4*-1;;4*-1;;4*+3/p-1
• InChIKey: VDNCMCUUNNSIDJ-UHFFFAOYSA-M
• XLogP: 42.23
• TPSA: 206.24 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3375.51
LogP ≤ 5	42.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(10H-benzo[h]quinolin-10-ide);tris(4,7-diphenyl-1,10-phenanthroline);tetrakis(iridium(3+));1,10-phenanthroline;bis(2-phenyl-1,3-benzothiazole);tetrakis(2-phenylpyridine);chloride?

The IUPAC name of bis(10H-benzo[h]quinolin-10-ide);tris(4,7-diphenyl-1,10-phenanthroline);tetrakis(iridium(3+));1,10-phenanthroline;bis(2-phenyl-1,3-benzothiazole);tetrakis(2-phenylpyridine);chloride (CID 157145763) is bis(10H-benzo[h]quinolin-10-ide);tris(4,7-diphenyl-1,10-phenanthroline);tetrakis(iridium(3+));1,10-phenanthroline;bis(2-phenyl-1,3-benzothiazole);tetrakis(2-phenylpyridine);chloride.

What is the SMILES notation for bis(10H-benzo[h]quinolin-10-ide);tris(4,7-diphenyl-1,10-phenanthroline);tetrakis(iridium(3+));1,10-phenanthroline;bis(2-phenyl-1,3-benzothiazole);tetrakis(2-phenylpyridine);chloride?

The canonical SMILES for bis(10H-benzo[h]quinolin-10-ide);tris(4,7-diphenyl-1,10-phenanthroline);tetrakis(iridium(3+));1,10-phenanthroline;bis(2-phenyl-1,3-benzothiazole);tetrakis(2-phenylpyridine);chloride is [Cl-].[Ir+3].[Ir+3].[Ir+3].[Ir+3].[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccccc1-c1nc2ccccc2s1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of bis(10H-benzo[h]quinolin-10-ide);tris(4,7-diphenyl-1,10-phenanthroline);tetrakis(iridium(3+));1,10-phenanthroline;bis(2-phenyl-1,3-benzothiazole);tetrakis(2-phenylpyridine);chloride?

The InChIKey is VDNCMCUUNNSIDJ-UHFFFAOYSA-M. The full InChI is InChI=1S/3C24H16N2.2C13H8NS.2C13H8N.C12H8N2.4C11H8N.ClH.4Ir/c3*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;2*1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h3*1-16H;2*1-6,8-9H;2*1-5,7-9H;1-8H;4*1-6,8-9H;1H;;;;/q;;;4*-1;;4*-1;;4*+3/p-1.

What are the key properties of bis(10H-benzo[h]quinolin-10-ide);tris(4,7-diphenyl-1,10-phenanthroline);tetrakis(iridium(3+));1,10-phenanthroline;bis(2-phenyl-1,3-benzothiazole);tetrakis(2-phenylpyridine);chloride?

bis(10H-benzo[h]quinolin-10-ide);tris(4,7-diphenyl-1,10-phenanthroline);tetrakis(iridium(3+));1,10-phenanthroline;bis(2-phenyl-1,3-benzothiazole);tetrakis(2-phenylpyridine);chloride has a molecular weight of 3375.51 g/mol, XLogP of 42.23, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis(10H-benzo[h]quinolin-10-ide);tris(4,7-diphenyl-1,10-phenanthroline);tetrakis(iridium(3+));1,10-phenanthroline;bis(2-phenyl-1,3-benzothiazole);tetrakis(2-phenylpyridine);chloride is sourced from PubChem (CID 157145763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).